EO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N6 | sing | 1.21Å | 1.42Å | Aromatic |
| O1 | C1 | sing | 1.34Å | 1.35Å | Aromatic |
| N6 | C23 | doub | 1.30Å | 1.30Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C1 | C2 | doub | 1.37Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | C2 | sing | 1.42Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.49Å | |
| C22 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| N5 | C9 | doub | 1.33Å | 1.35Å | Aromatic |
| N5 | C20 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.37Å | |
| C4 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.47Å | 1.46Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| O | C5 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N1 | sing | 1.38Å | 1.40Å | |
| N1 | C12 | sing | 1.40Å | 1.36Å | |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.46Å | 1.48Å | Aromatic |
| C12 | N2 | doub | 1.31Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | N3 | sing | 1.37Å | 1.40Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | O1 | C1 | 108.5° | 111.9° |
| O1 | N6 | C23 | 106.1° | 112.0° |
| O1 | C1 | C | 116.4° | 126.9° |
| O1 | C1 | C2 | 109.8° | 106.2° |
| N6 | C23 | C24 | 120.0° | 126.9° |
| N6 | C23 | C2 | 111.4° | 106.2° |
| C | C1 | C2 | 133.8° | 126.9° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.4° | 109.5° |
| C1 | C | H13 | 109.4° | 109.5° |
| C1 | C2 | C23 | 104.2° | 103.8° |
| C1 | C2 | C3 | 126.7° | 128.1° |
| C24 | C23 | C2 | 128.4° | 126.9° |
| C23 | C24 | H8 | 109.5° | 109.4° |
| C23 | C24 | H9 | 109.5° | 109.5° |
| C23 | C24 | H10 | 109.4° | 109.4° |
| C23 | C2 | C3 | 129.1° | 128.1° |
| C2 | C3 | C22 | 119.9° | 119.8° |
| C2 | C3 | C4 | 122.1° | 119.9° |
| C3 | C22 | C8 | 120.4° | 120.0° |
| C22 | C3 | C4 | 118.0° | 120.3° |
| C3 | C22 | H7 | 119.8° | 120.0° |
| C22 | C8 | N | 129.2° | 132.2° |
| C22 | C8 | C7 | 121.4° | 119.5° |
| C8 | C22 | H7 | 119.8° | 120.0° |
| C8 | N | C9 | 109.7° | 110.4° |
| N | C8 | C7 | 109.4° | 108.3° |
| C8 | N | H14 | 125.2° | 124.9° |
| N | C9 | N5 | 126.5° | 133.2° |
| N | C9 | C10 | 108.3° | 108.4° |
| C9 | N | H14 | 125.2° | 124.8° |
| C3 | C4 | O | 116.0° | 120.0° |
| C3 | C4 | C6 | 121.2° | 120.0° |
| C8 | C7 | C10 | 106.3° | 106.2° |
| C8 | C7 | C6 | 118.6° | 120.2° |
| C9 | N5 | C20 | 114.6° | 120.8° |
| N5 | C9 | C10 | 125.1° | 118.4° |
| N5 | C20 | C21 | 117.2° | 118.7° |
| N5 | C20 | N4 | 125.6° | 122.7° |
| C9 | C10 | C7 | 106.4° | 106.7° |
| C9 | C10 | C11 | 114.7° | 118.8° |
| O | C4 | C6 | 122.8° | 120.0° |
| C4 | O | C5 | 118.1° | 117.0° |
| C4 | C6 | C7 | 120.4° | 120.0° |
| C4 | C6 | H4 | 119.8° | 120.0° |
| C10 | C7 | C6 | 135.0° | 133.6° |
| C7 | C10 | C11 | 138.7° | 134.5° |
| C7 | C6 | H4 | 119.8° | 120.0° |
| O | C5 | H1 | 109.5° | 109.4° |
| O | C5 | H2 | 109.5° | 109.5° |
| O | C5 | H3 | 109.5° | 109.5° |
| C10 | C11 | N4 | 119.1° | 118.4° |
| C10 | C11 | N1 | 123.6° | 120.8° |
| C21 | C20 | N4 | 117.2° | 118.6° |
| C20 | C21 | H15 | 109.5° | 109.4° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | N4 | C11 | 120.9° | 120.9° |
| N4 | C11 | N1 | 117.3° | 120.8° |
| C11 | N1 | C12 | 140.6° | 120.0° |
| C11 | N1 | H18 | 109.7° | 120.0° |
| N1 | C12 | C15 | 129.5° | 126.2° |
| N1 | C12 | N2 | 125.2° | 126.2° |
| C12 | N1 | H18 | 109.7° | 120.0° |
| C15 | C16 | C17 | 120.1° | 119.7° |
| C16 | C15 | C12 | 131.0° | 134.1° |
| C16 | C15 | C14 | 118.5° | 119.7° |
| C15 | C16 | H19 | 120.0° | 120.1° |
| C16 | C17 | C18 | 120.6° | 120.6° |
| C16 | C17 | H5 | 119.7° | 119.7° |
| C17 | C16 | H19 | 119.9° | 120.2° |
| C15 | C12 | N2 | 105.0° | 107.7° |
| C12 | C15 | C14 | 110.5° | 106.3° |
| C12 | N2 | N3 | 108.4° | 110.0° |
| C15 | C14 | N3 | 103.2° | 106.8° |
| C15 | C14 | C19 | 121.6° | 119.4° |
| C17 | C18 | C19 | 120.6° | 120.8° |
| C18 | C17 | H5 | 119.7° | 119.7° |
| C17 | C18 | H6 | 119.7° | 119.6° |
| N2 | N3 | C14 | 112.9° | 109.2° |
| N2 | N3 | C13 | 121.3° | 125.4° |
| N3 | C14 | C19 | 135.1° | 133.8° |
| C14 | N3 | C13 | 125.8° | 125.3° |
| C14 | C19 | C18 | 118.6° | 119.9° |
| C14 | C19 | H20 | 120.7° | 120.1° |
| N3 | C13 | H21 | 109.5° | 109.5° |
| N3 | C13 | H22 | 109.5° | 109.5° |
| N3 | C13 | H23 | 109.5° | 109.5° |
| C19 | C18 | H6 | 119.7° | 119.6° |
| C18 | C19 | H20 | 120.7° | 120.0° |
| H1 | C5 | H2 | 109.4° | 109.4° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.4° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.4° |
| H21 | C13 | H23 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | O1 | C1 | C | 176.1° | 179.7° |
| N6 | O1 | C1 | C2 | 1.3° | 0.0° |
| O1 | N6 | C23 | C24 | 172.7° | 180.0° |
| O1 | N6 | C23 | C2 | 2.3° | 0.0° |
| C1 | O1 | N6 | C23 | 0.7° | 0.0° |
| O1 | C1 | C | C2 | 176.6° | 179.6° |
| O1 | C1 | C2 | C23 | 2.5° | 0.0° |
| O1 | C1 | C2 | C3 | 175.3° | 180.0° |
| O1 | C1 | C | H11 | 0.0° | 90.3° |
| O1 | C1 | C | H12 | 120.0° | 29.7° |
| O1 | C1 | C | H13 | 120.0° | 149.7° |
| N6 | C23 | C2 | C1 | 3.1° | 0.0° |
| N6 | C23 | C24 | C2 | 174.1° | 180.0° |
| N6 | C23 | C2 | C3 | 174.7° | 180.0° |
| N6 | C23 | C24 | H8 | 0.0° | 90.0° |
| N6 | C23 | C24 | H9 | 120.0° | 30.0° |
| N6 | C23 | C24 | H10 | 120.0° | 150.0° |
| C | C1 | C2 | C23 | 174.2° | 179.7° |
| C | C1 | C2 | C3 | 8.0° | 0.3° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C23 | C24 | 171.4° | 180.0° |
| C1 | C2 | C23 | C3 | 177.7° | 180.0° |
| C1 | C2 | C3 | C22 | 55.4° | 89.8° |
| C1 | C2 | C3 | C4 | 123.3° | 90.0° |
| C2 | C1 | C | H11 | 176.6° | 90.0° |
| C2 | C1 | C | H12 | 63.4° | 150.0° |
| C2 | C1 | C | H13 | 56.6° | 30.0° |
| C24 | C23 | C2 | C3 | 10.9° | 0.0° |
| C23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C23 | C24 | H8 | H10 | 120.0° | 119.9° |
| C23 | C24 | H9 | H10 | 120.0° | 120.0° |
| C23 | C2 | C3 | C22 | 127.4° | 90.2° |
| C23 | C2 | C3 | C4 | 53.9° | 90.0° |
| C2 | C23 | C24 | H8 | 174.1° | 90.0° |
| C2 | C23 | C24 | H9 | 54.0° | 150.0° |
| C2 | C23 | C24 | H10 | 66.0° | 30.0° |
| C2 | C3 | C22 | C4 | 178.8° | 179.8° |
| C2 | C3 | C22 | C8 | 177.2° | 180.0° |
| C2 | C3 | C4 | O | 2.2° | 0.0° |
| C2 | C3 | C4 | C6 | 177.7° | 180.0° |
| C2 | C3 | C22 | H7 | 2.8° | 0.0° |
| C3 | C22 | C8 | H7 | 180.0° | 179.9° |
| C3 | C22 | C8 | N | 178.0° | 180.0° |
| C3 | C22 | C8 | C7 | 0.8° | 0.0° |
| C22 | C3 | C4 | O | 179.1° | 179.8° |
| C22 | C3 | C4 | C6 | 1.0° | 0.2° |
| C22 | C8 | N | C7 | 177.4° | 180.0° |
| C22 | C8 | N | C9 | 176.8° | 180.0° |
| C8 | C22 | C3 | C4 | 1.5° | 0.2° |
| C22 | C8 | C7 | C10 | 177.5° | 179.9° |
| C22 | C8 | C7 | C6 | 0.4° | 0.3° |
| C22 | C8 | N | H14 | 3.2° | 0.0° |
| C8 | N | C9 | H14 | 180.0° | 180.0° |
| C8 | N | C9 | N5 | 175.9° | 179.9° |
| C8 | N | C9 | C10 | 0.9° | 0.0° |
| N | C8 | C7 | C10 | 0.1° | 0.0° |
| N | C8 | C7 | C6 | 177.3° | 179.8° |
| N | C8 | C22 | H7 | 2.0° | 0.1° |
| C9 | N | C8 | C7 | 0.6° | 0.0° |
| N | C9 | N5 | C10 | 176.3° | 179.9° |
| N | C9 | N5 | C20 | 176.0° | 180.0° |
| N | C9 | C10 | C7 | 0.8° | 0.0° |
| N | C9 | C10 | C11 | 176.7° | 180.0° |
| C3 | C4 | O | C6 | 179.9° | 179.9° |
| C3 | C4 | C6 | C7 | 0.2° | 0.0° |
| C3 | C4 | O | C5 | 165.1° | 180.0° |
| C3 | C4 | C6 | H4 | 179.8° | 180.0° |
| C4 | C3 | C22 | H7 | 178.5° | 179.7° |
| C8 | C7 | C10 | C9 | 0.4° | 0.0° |
| C8 | C7 | C6 | C4 | 0.9° | 0.3° |
| C8 | C7 | C10 | C6 | 176.5° | 179.7° |
| C8 | C7 | C10 | C11 | 174.8° | 180.0° |
| C8 | C7 | C6 | H4 | 179.1° | 179.8° |
| C7 | C8 | C22 | H7 | 179.2° | 180.0° |
| C7 | C8 | N | H14 | 179.4° | 180.0° |
| N5 | C9 | C10 | C7 | 176.1° | 179.9° |
| N5 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | N5 | C20 | C21 | 179.9° | 179.9° |
| C9 | N5 | C20 | N4 | 0.0° | 0.1° |
| N5 | C9 | N | H14 | 4.1° | 0.0° |
| C20 | N5 | C9 | C10 | 0.3° | 0.1° |
| N5 | C20 | C21 | N4 | 179.9° | 180.0° |
| N5 | C20 | N4 | C11 | 0.4° | 0.1° |
| N5 | C20 | C21 | H15 | 0.0° | 90.0° |
| N5 | C20 | C21 | H16 | 120.0° | 150.0° |
| N5 | C20 | C21 | H17 | 120.0° | 30.0° |
| C9 | C10 | C7 | C11 | 174.4° | 180.0° |
| C9 | C10 | C7 | C6 | 176.0° | 179.7° |
| C9 | C10 | C11 | N4 | 0.3° | 0.0° |
| C9 | C10 | C11 | N1 | 177.3° | 179.9° |
| C10 | C9 | N | H14 | 179.1° | 179.9° |
| O | C4 | C6 | C7 | 179.7° | 180.0° |
| C4 | O | C5 | H1 | 180.0° | 60.0° |
| C4 | O | C5 | H2 | 60.0° | 59.9° |
| C4 | O | C5 | H3 | 60.0° | 180.0° |
| O | C4 | C6 | H4 | 0.3° | 0.1° |
| C4 | C6 | C7 | C10 | 177.0° | 180.0° |
| C4 | C6 | C7 | H4 | 180.0° | 179.9° |
| C6 | C4 | O | C5 | 14.9° | 0.0° |
| C7 | C10 | C11 | N4 | 173.7° | 180.0° |
| C7 | C10 | C11 | N1 | 8.6° | 0.1° |
| C10 | C7 | C6 | H4 | 2.9° | 0.1° |
| C6 | C7 | C10 | C11 | 1.7° | 0.3° |
| O | C5 | H1 | H2 | 120.0° | 120.0° |
| O | C5 | H1 | H3 | 120.0° | 120.0° |
| O | C5 | H2 | H3 | 120.0° | 120.0° |
| C10 | C11 | N4 | C20 | 0.6° | 0.0° |
| C10 | C11 | N4 | N1 | 177.8° | 180.0° |
| C10 | C11 | N1 | C12 | 24.7° | 180.0° |
| C10 | C11 | N1 | H18 | 155.3° | 0.0° |
| C21 | C20 | N4 | C11 | 179.4° | 180.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | N4 | C11 | N1 | 177.2° | 179.9° |
| N4 | C20 | C21 | H15 | 179.9° | 90.0° |
| N4 | C20 | C21 | H16 | 59.9° | 30.0° |
| N4 | C20 | C21 | H17 | 60.1° | 150.1° |
| N4 | C11 | N1 | C12 | 153.0° | 0.0° |
| N4 | C11 | N1 | H18 | 27.0° | 180.0° |
| C11 | N1 | C12 | H18 | 180.0° | 180.0° |
| C11 | N1 | C12 | C15 | 33.5° | 180.0° |
| C11 | N1 | C12 | N2 | 139.0° | 0.1° |
| N1 | C12 | C15 | C16 | 9.2° | 0.4° |
| N1 | C12 | C15 | N2 | 173.6° | 179.9° |
| N1 | C12 | C15 | C14 | 174.4° | 179.9° |
| N1 | C12 | N2 | N3 | 173.6° | 179.9° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C16 | C15 | C12 | C14 | 176.4° | 179.7° |
| C16 | C15 | C12 | N2 | 177.1° | 179.7° |
| C15 | C16 | C17 | C18 | 0.9° | 0.0° |
| C16 | C15 | C14 | N3 | 178.4° | 179.8° |
| C16 | C15 | C14 | C19 | 1.5° | 0.3° |
| C15 | C16 | C17 | H5 | 179.1° | 179.7° |
| C17 | C16 | C15 | C12 | 174.3° | 179.7° |
| C17 | C16 | C15 | C14 | 1.9° | 0.0° |
| C16 | C17 | C18 | H5 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.6° | 0.3° |
| C16 | C17 | C18 | H6 | 179.4° | 179.8° |
| C15 | C12 | N2 | N3 | 0.4° | 0.0° |
| C12 | C15 | C14 | N3 | 1.5° | 0.0° |
| C12 | C15 | C14 | C19 | 175.4° | 180.0° |
| C15 | C12 | N1 | H18 | 146.5° | 0.1° |
| C12 | C15 | C16 | H19 | 5.7° | 0.3° |
| N2 | C12 | C15 | C14 | 0.7° | 0.0° |
| C12 | N2 | N3 | C14 | 1.5° | 0.0° |
| C12 | N2 | N3 | C13 | 176.7° | 180.0° |
| N2 | C12 | N1 | H18 | 41.0° | 180.0° |
| C15 | C14 | N3 | N2 | 1.8° | 0.0° |
| C15 | C14 | N3 | C19 | 176.3° | 179.9° |
| C15 | C14 | N3 | C13 | 176.3° | 180.0° |
| C15 | C14 | C19 | C18 | 0.1° | 0.6° |
| C14 | C15 | C16 | H19 | 178.1° | 180.0° |
| C15 | C14 | C19 | H20 | 179.9° | 180.0° |
| C17 | C18 | C19 | C14 | 1.0° | 0.6° |
| C17 | C18 | C19 | H6 | 180.0° | 179.9° |
| C18 | C17 | C16 | H19 | 179.1° | 180.0° |
| C17 | C18 | C19 | H20 | 179.0° | 180.0° |
| N2 | N3 | C14 | C13 | 178.1° | 180.0° |
| N2 | N3 | C14 | C19 | 174.4° | 179.9° |
| N2 | N3 | C13 | H21 | 0.0° | 90.0° |
| N2 | N3 | C13 | H22 | 120.0° | 30.0° |
| N2 | N3 | C13 | H23 | 120.0° | 150.0° |
| N3 | C14 | C19 | C18 | 175.9° | 179.5° |
| N3 | C14 | C19 | H20 | 4.1° | 0.1° |
| C14 | N3 | C13 | H21 | 178.0° | 90.0° |
| C14 | N3 | C13 | H22 | 62.1° | 150.0° |
| C14 | N3 | C13 | H23 | 58.0° | 30.0° |
| C19 | C14 | N3 | C13 | 7.4° | 0.0° |
| C14 | C19 | C18 | H20 | 180.0° | 179.4° |
| C14 | C19 | C18 | H6 | 179.0° | 179.5° |
| N3 | C13 | H21 | H22 | 120.0° | 120.0° |
| N3 | C13 | H21 | H23 | 120.0° | 120.1° |
| N3 | C13 | H22 | H23 | 120.0° | 120.1° |
| C19 | C18 | C17 | H5 | 179.4° | 180.0° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H5 | C17 | C18 | H6 | 0.6° | 0.1° |
| H5 | C17 | C16 | H19 | 0.9° | 0.3° |
| H6 | C18 | C19 | H20 | 1.0° | 0.0° |
| H8 | C24 | H9 | H10 | 120.0° | 120.1° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H21 | C13 | H22 | H23 | 120.0° | 119.9° |
